Demethylolivomycin B
TL;DR: Demethylolivomycin B (CAS 86917-63-7) is a chemical compound with molecular formula C55H78O26 and molecular weight 1154.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
Also Known As: Demethylolivomycin B, [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate, Olivomycin D, 3D-(4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-4B-demethyl-, (6-((6-(4-(4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl)oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl)oxy)-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl) acetate
| Molecular Formula | C55H78O26 |
|---|---|
| Molecular Weight | 1154.48 g/mol |
| LogP | 0.5839 |
| Topological Polar Surface Area | 370.34 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 17 |
| Exact Mass | 1154.4781 |
| Heavy Atoms | 81 |
| Complexity | 2547.5361 |
Chemical Identifiers
| CAS Number | 86917-63-7 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(OC(C2OC(=O)C)C)OC3=CC(=C4C(=C3)C=C5CC(C(C(=O)C5=C4O)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)C(C(=O)C(C(C)O)O)OC)O)O)O |
Product Overview
Demethylolivomycin B (CAS 86917-63-7), with molecular formula C55H78O26 and molecular weight 1154.48 g/mol. IUPAC: [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate.
Chemical Property Profile of Demethylolivomycin B
Property Insights of Demethylolivomycin B
The XLogP value of 0.5839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethylolivomycin B. The TPSA of 370.34 Ų indicates high polarity, suggesting Demethylolivomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethylolivomycin B has 9 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demethylolivomycin B?
The CAS number of Demethylolivomycin B is 86917-63-7.
What is the molecular formula of Demethylolivomycin B?
The molecular formula of Demethylolivomycin B is C55H78O26.
What is the molecular weight of Demethylolivomycin B?
The molecular weight of Demethylolivomycin B is 1154.48 g/mol.
Where can I buy Demethylolivomycin B?
You can request a quote for Demethylolivomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylolivomycin B?
Yes, KEHONG BIO provides custom synthesis services for Demethylolivomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.